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The transferability of extremely localized molecular orbitals

✍ Scribed by M. Sironi; A. Famulari; M. Raimondi; S. Chiesa

Book ID
114141114
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
208 KB
Volume
529
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES

Localization, equivalence and transferab
Localization, equivalence and transferability of non-orthogonal localized molecular orbitals
✍ Xiaoping Cao; Jiazhen Wang πŸ“‚ Article πŸ“… 1988 πŸ› Elsevier Science 🌐 English βš– 456 KB

By introducing the definition of the reciprocal basis vector, the unit operator can be established, allowing vectors and operators to be represented in matrix form, and the solution of equations can be reduced to a series of basis vector transformations. By using this method and discarding the const